Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
D-Aspartic acid,3-hydroxy-, (3S)-rel- |
EINECS | 229-431-4 |
CAS No. | 6532-76-9 | Density | 1.738 g/cm3 |
PSA | 120.85000 | LogP | -1.45590 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H7NO5 | Boiling Point | 368.7 °C at 760 mmHg |
Molecular Weight | 149.103 | Flash Point | 176.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
erythro-3-Hydroxy-DL-aspartic acid; |
Article Data | 35 |
The IUPAC name of D-Aspartic acid,3-hydroxy-, (3S)-rel- is 2-amino-3-hydroxybutanedioic acid. With the CAS registry number 6532-76-9, it is also named as erythro-3-Hydroxy-DL-aspartic acid. In addition, its molecular formula is C4H7NO5 and its molecular weight is 149.10208.
The other characteristics of D-Aspartic acid,3-hydroxy-, (3S)-rel- can be summarized as: (1)EINECS: 229-431-4; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 120.85 Å2; (7)Index of Refraction: 1.583; (8)Molar Refractivity: 28.69 cm3; (9)Molar Volume: 85.7 cm3; (10)Polarizability: 11.37×10-24cm3; (11)Surface Tension: 106.4 dyne/cm; (12)Density: 1.738 g/cm3; (13)Flash Point: 176.8 °C; (14)Enthalpy of Vaporization: 71.21 kJ/mol; (15)Boiling Point: 368.7 °C at 760 mmHg; (16)Vapour Pressure: 6.2E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C(N)[C@H](O)C(O)=O
(2)InChI: InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1?,2-/m0/s1
(3)InChIKey: YYLQUHNPNCGKJQ-ASHVXDOABO
(4)Std. InChI: InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1?,2-/m0/s1
(5)Std. InChIKey: YYLQUHNPNCGKJQ-ASHVXDOASA-N